G841-0042 Screening compound: 4-(azepane-1-sulfonyl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]benzamide

G841-0042 Screening compound: 4-(azepane-1-sulfonyl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]benzamide
G841-0042 Screening compound: 4-(azepane-1-sulfonyl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G841-0042
4-(azepane-1-sulfonyl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G841-0042

Molecular Formula

C26H25N3O3S2 (C26 H25 N3 O3 S2)

Compound Name

4-(azepane-1-sulfonyl)-N-[4-(1,3-benzothiazol-2-yl)phenyl]benzamide

IUPAC name

4-(azepane-1-sulfonyl)-N-[4-(13-benzothiazol-2-yl)phenyl]benzamide

SMILES

O=C(c(cc1)ccc1S(N1CCCCCC1)(=O)=O)Nc(cc1)ccc1-c1nc(cccc2)c2s1

InChI

InChI=1S/C26H25N3O3S2/c30-25(19-11-15-22(16-12-19)34(31,32)29-17-5-1-2-6-18-29)27-21-13-9-20(10-14-21)26-28-23-7-3-4-8-24(23)33-26/h3-4,7-16H,1-2,5-6,17-18H2,(H,27,30)

InChI Key

OVGSIJKASLTKNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04418838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.638

Distribution Coefficient, logD

5.638

Water Solubility, LogSw

-5.82

Polar Surface Area

64.821

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

G841-0042 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G841-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G841-0042?
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What is the minimum amount of G841-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G841-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G841-0042
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G841-0042 available by request